N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-nitro-benzamide

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-nitro-benzamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-4-nitro-benzamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-4-nitrobenzamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-nitrobenzamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-4-nitro-benzamide Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C(=O)[C@H]1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N4O4/c20-11-13-2-1-3-14(10-13)12-22-9-8-17(19(22)25)21-18(24)15-4-6-16(7-5-15)23(26)27/h1-7,10,17H,8-9,12H2,(H,21,24)/t17-/m0/s1